4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide

C16H17FN2O3S — CID 95153058

IUPAC4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C16H17FN2O3S/c1-11(12-6-4-3-5-7-12)18-16(20)13-8-9-14(17)15(10-13)19-23(2,21)22/h3-11,19H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyOLTKLNHFHBZYFE-LLVKDONJSA-N
MW336.39 g/mol
LogP2.69
Rot. Bonds5

About 4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide

4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 95153058) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide
PubChem CID95153058
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C16H17FN2O3S/c1-11(12-6-4-3-5-7-12)18-16(20)13-8-9-14(17)15(10-13)19-23(2,21)22/h3-11,19H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyOLTKLNHFHBZYFE-LLVKDONJSA-N
XLogP2.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 39359588
3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 36614257
N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 53281833
2-[[4-fluoro-3-(methanesulfonamido)benzoyl]amino]-4-methylpentanoic acid
CID 119188500
4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408
3,4,5-trifluoro-N-(1-phenylethyl)benzamide
CID 63188112
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 93486317
4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 49018159
3-(benzenesulfonamido)-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 99955648
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide (CID 95153058) is 4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1)c1ccccc1.
What is the InChIKey of 4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is OLTKLNHFHBZYFE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-11(12-6-4-3-5-7-12)18-16(20)13-8-9-14(17)15(10-13)19-23(2,21)22/h3-11,19H,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide?
4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 336.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 95153058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).